2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one

C18H20FN3O2 — CID 136735563

IUPAC2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CCCN(C(=O)c3ccccc3F)C2)[nH]c(=O)c1C
InChIInChI=1S/C18H20FN3O2/c1-11-12(2)20-16(21-17(11)23)13-6-5-9-22(10-13)18(24)14-7-3-4-8-15(14)19/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,20,21,23)/t13-/m1/s1
InChIKeyDKJTZFCUVYJPMV-CYBMUJFWSA-N
MW329.38 g/mol
LogP2.55
Rot. Bonds2

About 2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 136735563) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID136735563
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CCCN(C(=O)c3ccccc3F)C2)[nH]c(=O)c1C
InChIInChI=1S/C18H20FN3O2/c1-11-12(2)20-16(21-17(11)23)13-6-5-9-22(10-13)18(24)14-7-3-4-8-15(14)19/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,20,21,23)/t13-/m1/s1
InChIKeyDKJTZFCUVYJPMV-CYBMUJFWSA-N
XLogP2.55
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-fluorobenzoyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795630
6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125019436
(2-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone
CID 90608763
2-[(2R)-1-[2-(2-fluorophenyl)acetyl]pyrrolidin-2-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135963772
2-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one
CID 136881857
2-[6-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137268094
2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136735586
(2,3-difluorophenyl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128996049
(2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124949617
(3S)-1-(3-fluoro-2-methylbenzoyl)piperidine-3-carboxylic acid
CID 122107144
2-[(3R)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one
CID 136869687
(2-fluorophenyl)-[3-[2-(4-methylanilino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53139994

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 136735563) is 2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc([C@@H]2CCCN(C(=O)c3ccccc3F)C2)[nH]c(=O)c1C.
What is the InChIKey of 2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is DKJTZFCUVYJPMV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-11-12(2)20-16(21-17(11)23)13-6-5-9-22(10-13)18(24)14-7-3-4-8-15(14)19/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,20,21,23)/t13-/m1/s1.
What are the key properties of 2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 329.38 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136735563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).